(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol

C11H22O3Si — CID 134841909

IUPAC(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
SMILESC#C[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyCHULHEFJSOWDPI-UWVGGRQHSA-N
MW230.38 g/mol
LogP1.36
Rot. Bonds4

About (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol

(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol (PubChem CID 134841909) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
PubChem CID134841909
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
SMILESC#C[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyCHULHEFJSOWDPI-UWVGGRQHSA-N
XLogP1.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
CID 102039374
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
(2S)-3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol
CID 100997878
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
1,3-Propanediol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11481169
(1R,2S,3S)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 9991042
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 10466063

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The IUPAC name of (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol (CID 134841909) is (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol.
What is the SMILES notation for (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The canonical SMILES for (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol is C#C[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The InChIKey is CHULHEFJSOWDPI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol has a molecular weight of 230.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol is sourced from PubChem (CID 134841909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).